Moscito (software)

Moscito is a simulation software package for molecular dynamics (MD) simulation, originally developed at the University of Dortmund.

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Moscito is designed for condensed phase and gas phase MD simulations of molecular aggregates. Standard molecular mechanics force-fields such as AMBER, OPLS, CHARMM and GROMOS can be employed. Simulations can be carried out in different ensembles such as NVE, NVT or NPT using the weak coupling scheme. Smooth Particle Mesh Ewald summation is used for long range electrostatic interactions. One of Moscito's features is a rigorous implementation of a molecular virial for pressure evaluation.

Moscito runs efficiently on 32bit Intel/AMD architectures since some essential code has been written in assembly language.

The Moscito distribution comes with a large number of tools for setting up and analysing MD simulation runs. In addition, Moscito tools can easily share data with other MD-codes such as GROMACS and visualization tools such as Visual Molecular Dynamics. Complex molecular forecefields and topologies can be set up easily and also be exported to GROMACS.

Moscito is published under the General Public License (GPL). In 2007 Moscito was listed among the highest ranked Open Science Projects.

See also

• AMBER
• Gromacs
• GROMOS
• OPLS
• Visual Molecular Dynamics